Compound Detail
CHEMBL4204115
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(/C(=C/c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1)N1CCN(c2ncccn2)CC1
Basic Information
| ChEMBL ID | CHEMBL4204115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTIXPWPINOAFGN-RCCKNPSSSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
506.4
MW (Da)
5.40
ALogP
4
HBA
0
HBD
49.3
PSA (Ų)
0.27
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BV-2 CHEMBL614781 | IC50 | 5.38 | 5.2433 | 4200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BV-2 | IC50 | = | 4200.0 | nM | 5.38 | Antineuroinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-... | 29499485 |
| BV-2 | IC50 | = | 6500.0 | nM | 5.19 | Antineuroinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-... | 29499485 |
| BV-2 | IC50 | = | 6900.0 | nM | 5.16 | Antineuroinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-... | 29499485 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29499485 | 10.1016/j.ejmech.2018.02.063 | BV-2 | 3 |
| 29499485 | 10.1016/j.ejmech.2018.02.063 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine